Geometry & MOs

Info

ID:	28712
PubChem CID:	829106
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	262.111756
ΔH_f, kcal/mol:	-12.81
Dipole, Da:	3.88
IP(EA), eV:	-8.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclopropyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)OC)CCO

DOS

IR

Vibrations